3-[(2,5-dimethylpyrazol-3-yl)carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2,5-dimethylpyrazol-3-yl)carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2,5-dimethylpyrazole-3-carbonyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2,5-dimethylpyrazole-3-carbonyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2,5-dimethylpyrazole-3-carbonyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C19H26N5O2S+ MolecularWeight: 388.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)OC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)OC)C

InChI

InChI=1S/C19H25N5O2S/c1-13-12-14(23(4)21-13)18(25)24(11-7-10-22(2)3)19-20-17-15(26-5)8-6-9-16(17)27-19/h6,8-9,12H,7,10-11H2,1-5H3/p+1